Indexed by:Journal Article

Date of Publication:2014-01-02

Journal:MOLECULAR PHYSICS

Included Journals:Scopus、EI、SCIE

Volume:112

Issue:1

Page Number:74-84

ISSN:0026-8976

Key Words:CO2 sequestration; hydration; hydrogen bond

Abstract:In the present study, we focus on the phase properties of CO2-brine systems in geologic media. Molecular dynamics simulation methods were used to investigate the ion hydration and hydrogen bond structure in CO2-brine and brine solutions at temperatures and pressures for CO2 sequestration. By comparing the results of CO2-brine solutions with those of brine solutions, the effects of solvated CO2 were analysed and discussed.